UCSF

ZINC42742049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Hi High (pH 8-9.5) 1.90 5.24 -33.93 3 3 1 34 254.442 4
Hi High (pH 8-9.5) 1.90 2.02 -41.3 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.90 4.99 -95.41 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.90 4.43 -108.4 4 3 2 35 255.45 4
Lo Low (pH 4.5-6) 1.90 5.35 -220.94 5 3 3 37 256.458 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )